ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-chlorophenyl)methyl]-3-sulfanylpropanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[2-(4-chlorobenzyl)-3-mercapto-propanoyl]amino]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC=C(C=C2)Cl)CS

Isomeric SMILES

CCOC(=O)C1=CC(=CN1)NC(=O)C(CC2=CC=C(C=C2)Cl)CS

InChI

InChI=1S/C17H19ClN2O3S/c1-2-23-17(22)15-8-14(9-19-15)20-16(21)12(10-24)7-11-3-5-13(18)6-4-11/h3-6,8-9,12,19,24H,2,7,10H2,1H3,(H,20,21)